1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide

C18H22F3N3O2 — CID 136546576

IUPAC1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccnc(C(F)(F)F)c1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)15-8-12(6-7-22-15)10-23-17(26)13-9-16(25)24(11-13)14-4-2-1-3-5-14/h6-8,13-14H,1-5,9-11H2,(H,23,26)
InChIKeyJUFJBQSPZRTNER-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.90
Rot. Bonds4

About 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 136546576) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID136546576
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccnc(C(F)(F)F)c1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)15-8-12(6-7-22-15)10-23-17(26)13-9-16(25)24(11-13)14-4-2-1-3-5-14/h6-8,13-14H,1-5,9-11H2,(H,23,26)
InChIKeyJUFJBQSPZRTNER-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55636175
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
1-cyclopentyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71942205
1-cyclopentyl-N-[(2-methylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86979242
(3S)-1-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 125163304
(3R)-1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125463

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 136546576) is 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccnc(C(F)(F)F)c1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is JUFJBQSPZRTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)15-8-12(6-7-22-15)10-23-17(26)13-9-16(25)24(11-13)14-4-2-1-3-5-14/h6-8,13-14H,1-5,9-11H2,(H,23,26).
What are the key properties of 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 136546576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).